1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C16H26ClNO2 — CID 2838658

IUPAC1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-2-5-14-6-8-16(9-7-14)19-13-15(18)12-17-10-3-4-11-17;/h6-9,15,18H,2-5,10-13H2,1H3;1H
InChIKeyUEGLUOWVFDNTAZ-UHFFFAOYSA-N
MW299.84 g/mol
LogP2.90
Rot. Bonds7

About 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2838658) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2838658
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC Name1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCCCc1ccc(OCC(O)CN2CCCC2)cc1.Cl
InChIInChI=1S/C16H25NO2.ClH/c1-2-5-14-6-8-16(9-7-14)19-13-15(18)12-17-10-3-4-11-17;/h6-9,15,18H,2-5,10-13H2,1H3;1H
InChIKeyUEGLUOWVFDNTAZ-UHFFFAOYSA-N
XLogP2.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bisoprolol
CID 2405
Alprenolol
CID 2119
Metoprolol
CID 4171
Betaxolol
CID 2369
Betaxolol Hydrochloride
CID 107952
Levobetaxolol
CID 60657
Alprenolol Hydrochloride
CID 66368
Alprenolol, (S)-
CID 204665
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
O-Demethylmetoprolol
CID 162181
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685
1-(4-Methylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 2840793

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 2838658) is 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is CCCc1ccc(OCC(O)CN2CCCC2)cc1.Cl.
What is the InChIKey of 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is UEGLUOWVFDNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.ClH/c1-2-5-14-6-8-16(9-7-14)19-13-15(18)12-17-10-3-4-11-17;/h6-9,15,18H,2-5,10-13H2,1H3;1H.
What are the key properties of 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 299.84 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 2838658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).